5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine

C15H12ClFN2O — CID 163252489

IUPAC5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(F)cc1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C15H12ClFN2O/c1-19-12(5-9-6-15(16)18-8-13(9)19)11-7-10(17)3-4-14(11)20-2/h3-8H,1-2H3
InChIKeyDVDLEKORDFCEDH-UHFFFAOYSA-N
MW290.73 g/mol
LogP4.04
Rot. Bonds2

About 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine

5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 163252489) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
PubChem CID163252489
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine
SMILESCOc1ccc(F)cc1-c1cc2cc(Cl)ncc2n1C
InChIInChI=1S/C15H12ClFN2O/c1-19-12(5-9-6-15(16)18-8-13(9)19)11-7-10(17)3-4-14(11)20-2/h3-8H,1-2H3
InChIKeyDVDLEKORDFCEDH-UHFFFAOYSA-N
XLogP4.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(5-fluoro-2-methoxyphenyl)pyridine
CID 154604158
5-chloro-2-(4-ethyl-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridine
CID 163252771
2-[[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-6-methoxybenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 167374733
3-(5-fluoro-2-methoxyphenyl)-1-methyl-1,2,4-triazole
CID 166492561
[5-(5-fluoro-2-methoxyphenyl)-1H-imidazol-2-yl]methanol
CID 116878261
3-chloro-5-methoxy-9-methylpyrido[3,4-b]indole
CID 115045950
cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
CID 163252319
cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252451
2-[1-[5-(5-chloro-1-methylpyrrolo[2,3-c]pyridin-2-yl)-1H-indol-6-yl]ethoxy]ethyl-trimethylsilane
CID 174145548
3-chloro-8-methoxyisoquinoline
CID 14589577
CID 163252822
CID 163252822
2-(4-methoxypyrimidin-5-yl)-1,5-dimethylpyrrolo[2,3-c]pyridine
CID 163252464

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine (CID 163252489) is 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine is COc1ccc(F)cc1-c1cc2cc(Cl)ncc2n1C.
What is the InChIKey of 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is DVDLEKORDFCEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c1-19-12(5-9-6-15(16)18-8-13(9)19)11-7-10(17)3-4-14(11)20-2/h3-8H,1-2H3.
What are the key properties of 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine?
5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 290.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-fluoro-2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163252489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).